1-(2,3-dimethylphenyl)-4-[(1S)-2-methyl-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(1S)-2-methyl-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(1S)-2-methyl-1-[1-(2-thienylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(1S)-2-methyl-1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]propyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(1S)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(1S)-2-methyl-1-[1-(2-thenyl)tetrazol-5-yl]propyl]piperazin-4-ium Formula: C22H31N6S+ MolecularWeight: 411.58674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C3=NN=NN3CC4=CC=CS4)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C3=NN=NN3CC4=CC=CS4)C(C)C)C

InChI

InChI=1S/C22H30N6S/c1-16(2)21(22-23-24-25-28(22)15-19-8-6-14-29-19)27-12-10-26(11-13-27)20-9-5-7-17(3)18(20)4/h5-9,14,16,21H,10-13,15H2,1-4H3/p+1/t21-/m0/s1